CID 4368239

4-(anilinosulfonyl)-n-butyl-1-hydroxy-2-naphthamide

Structural Information

Molecular Formula

C₂₁H₂₂N₂O₄S

SMILES

CCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)S(=O)(=O)NC3=CC=CC=C3)O

InChI

InChI=1S/C21H22N2O4S/c1-2-3-13-22-21(25)18-14-19(16-11-7-8-12-17(16)20(18)24)28(26,27)23-15-9-5-4-6-10-15/h4-12,14,23-24H,2-3,13H2,1H3,(H,22,25)

InChIKey

FWAKIMOWBOTUJM-UHFFFAOYSA-N

Compound name

N-butyl-1-hydroxy-4-(phenylsulfamoyl)naphthalene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 398.13004 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	399.137316	191.3
[M+Na]+	421.119258	196.8
[M-H]-	397.122764	196.9
[M+NH4]+	416.163863	202.1
[M+K]+	437.093198	191.0
[M+H-H2O]+	381.127300	182.8
[M+HCOO]-	443.128241	207.0
[M+CH3COO]-	457.143891	222.4
[M+Na-2H]-	419.104706	195.7
[M]+	398.12949142	194.0
[M]-	398.13058858	194.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe